5-methoxydec-2-enal

C11H20O2 — CID 71373552

IUPAC5-methoxydec-2-enal
SMILESCCCCCC(CC=CC=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-8-11(13-2)9-6-7-10-12/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyUAMKBPJFNORBPD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds8

About 5-methoxydec-2-enal

5-methoxydec-2-enal (PubChem CID 71373552) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-methoxydec-2-enal.

Molecular Properties

Compound Name5-methoxydec-2-enal
PubChem CID71373552
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-methoxydec-2-enal
SMILESCCCCCC(CC=CC=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-8-11(13-2)9-6-7-10-12/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyUAMKBPJFNORBPD-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methoxyheptadec-2-enal
CID 91518911
(3S)-3-methoxydecanal
CID 58437054
(E)-5-methoxy-8,8-dimethylnon-2-enal
CID 87291744
4-methoxynon-1-ene
CID 13284925
(5S)-5-methoxyundecane
CID 118889956
5-methoxy-7,8-dimethylnon-2-enal
CID 91218827
9-methoxyhexadec-2-enoic acid
CID 163192644
(E)-5-hydroxy-6-methyldec-2-enal
CID 87291408
8-aminooctanal;7-methoxytetradecane;propane
CID 168894528
octadecan-8-yl formate
CID 171797323
(4S)-4-methoxyundecan-1-ol
CID 53329455
dodec-2-enal;(E)-hex-2-enal
CID 159709120

Frequently Asked Questions

What is the IUPAC name of 5-methoxydec-2-enal?
The IUPAC name of 5-methoxydec-2-enal (CID 71373552) is 5-methoxydec-2-enal.
What is the SMILES notation for 5-methoxydec-2-enal?
The canonical SMILES for 5-methoxydec-2-enal is CCCCCC(CC=CC=O)OC.
What is the InChIKey of 5-methoxydec-2-enal?
The InChIKey is UAMKBPJFNORBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-8-11(13-2)9-6-7-10-12/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 5-methoxydec-2-enal?
5-methoxydec-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxydec-2-enal is sourced from PubChem (CID 71373552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).